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dc.contributor.authorStepanian, S.G.
dc.contributor.authorAdamowicz, L.
dc.date.accessioned2022-05-20T20:48:00Z
dc.date.available2022-05-20T20:48:00Z
dc.date.issued2022
dc.identifier.citationStepanian, S. G., & Adamowicz, L. (2022b). Quantum mechanical studies of 2D nanobiohybrids (Review Article). Low Temperature Physics.
dc.identifier.issn1063-777X
dc.identifier.doi10.1063/10.0009731
dc.identifier.urihttp://hdl.handle.net/10150/664527
dc.description.abstractWe considered the recent application of quantum mechanical methods for studying the structure, interaction energies, as well as vibrational and electronic spectra of complexes of 2D nanomaterials (graphene, graphene oxide) with biological molecules. We analyzed how to overcome the main problems arising in computational studies of 2D nanobiohybrids, namely, the large size of systems, the nonuniformity of 2D nanomaterials, the need to use methods that can correctly take into account dispersion interactions. An analysis of the results of quantum mechanical studies, published over the recent decade, showed that the development of theoretical calculation methods and a significant increase in the productivity of computing technology made it possible to calculate not only the structure and interaction energies of nanobiosystems, but also their vibrational and electronic spectra. © 2022 Author(s).
dc.language.isoen
dc.publisherAmerican Institute of Physics Inc.
dc.rightsCopyright © 2022 Author(s). Published under an exclusive license by AIP Publishing.
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/
dc.titleQuantum mechanical studies of 2D nanobiohybrids
dc.typeArticle
dc.typetext
dc.contributor.departmentDepartment of Chemistry and Biochemistry, University of Arizona
dc.identifier.journalLow Temperature Physics
dc.description.note12 month embargo; published online: 12 April 2022
dc.description.collectioninformationThis item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at repository@u.library.arizona.edu.
dc.eprint.versionFinal published version
dc.source.journaltitleLow Temperature Physics


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